Molecular Properties | |
SMILES: | COc1ccc(-c2nc3ccc(NC(=O)C4CCN(C(=O)c5ccc(C(F)(F)F)cc5)CC4)cc3o2)c(Br)c1 |
MW: | 602.407 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 84.67 |
cLogP: | 6.7756 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Filter9_metal
aryl bromide
high halogen content (>3)
DRA-CSI-7ec17797-16
0.796
DRA-CSI-7ec17797-2
0.735
DRA-CSI-7ec17797-17
0.673
DRA-CSI-0a78d9ba-6
0.648
DRA-CSI-0a78d9ba-9
0.642
DRA-CSI-0a78d9ba-5
0.633
DRA-CSI-3ab97369-6
0.631
DRA-CSI-0a78d9ba-10
0.631
DRA-CSI-0a78d9ba-11
0.623
DRA-CSI-3ab97369-7
0.622
DRA-CSI-0a78d9ba-12
0.619
DRA-CSI-3ab97369-4
0.614
DRA-CSI-0a78d9ba-7
0.611
DRA-CSI-0a78d9ba-8
0.605
DRA-CSI-3ab97369-5
0.600
DRA-CSI-7ec17797-1
0.578
DRA-CSI-7ec17797-14
0.575
DRA-CSI-7ec17797-12
0.575
DRA-CSI-7ec17797-13
0.575
DRA-CSI-0a78d9ba-4
0.553
DRA-CSI-0a78d9ba-2
0.475
DRA-CSI-3ab97369-2
0.469
DRA-CSI-0a78d9ba-1
0.454
DRA-CSI-0a78d9ba-3
0.439
DRA-CSI-3ab97369-1
0.438
DRA-CSI-7ec17797-19
0.438
DRA-CSI-3ab97369-3
0.424
DRA-CSI-7ec17797-6
0.415
DRA-CSI-7ec17797-7
0.320
DRA-CSI-3ab97369-9
0.305
LON-WEI-120e5cf5-19
0.289
DRA-CSI-47e38074-14
0.288
DRA-CSI-3ab97369-13
0.285
DRA-CSI-13f611db-1
0.285
DRA-CSI-7ec17797-10
0.279
DRA-CSI-3ab97369-8
0.279
AAR-POS-fca48359-4
0.268
RAL-MED-9a5eb9cb-18
0.267
LON-WEI-120e5cf5-17
0.265
AAR-POS-f650c5f2-4
0.265
AAR-POS-5507155c-2
0.265
LON-WEI-120e5cf5-1
0.265
GIA-UNK-595fac82-3
0.264
DRA-CSI-47e38074-13
0.263
DRA-CSI-7ec17797-3
0.262
DRA-CSI-7ec17797-9
0.261
LON-WEI-120e5cf5-3
0.261
DRA-CSI-0a78d9ba-16
0.259
LON-WEI-120e5cf5-10
0.259
GIA-UNK-995df016-16
0.252
LYN-UNI-b265e4fd-6
0.252
RAL-MED-9a5eb9cb-16
0.252
LYN-UNI-7bb260d6-1
0.250
LYN-UNI-c2dd631d-7
0.250
DRA-CSI-3ab97369-11
0.248
RAL-MED-9a5eb9cb-17
0.248
GIA-UNK-995df016-10
0.243
UNK-UNK-2ede4078-100
0.242
RAL-MED-9a5eb9cb-1
0.241
RAL-MED-9a5eb9cb-13
0.240
RED-RED-10c9212c-1
0.239
LON-WEI-b8d98729-27
0.239
GIA-UNK-5ec6c2b8-1
0.238
LON-WEI-120e5cf5-2
0.236
DRA-CSI-0a78d9ba-15
0.236
RAL-MED-9a5eb9cb-5
0.236
RAL-MED-9a5eb9cb-4
0.235
BEN-DND-031a96cc-3
0.234
LON-WEI-120e5cf5-9
0.233
DRA-CSI-0a78d9ba-13
0.231
BRU-UNI-248b30bc-40
0.231
LON-WEI-120e5cf5-11
0.231
LON-WEI-120e5cf5-20
0.230
RAL-THA-05e671eb-14
0.230
MAR-TRE-fd17a9b8-97
0.230
RAL-MED-9a5eb9cb-3
0.229
MAK-UNK-c97f7c8f-2
0.229
JUL-TUD-06b2044f-105
0.229
LUI-IND-a1be81af-3
0.229
JAG-SYN-9c2cd0bd-7
0.228
UNK-CYC-68f84b31-73
0.225
JUL-TUD-06b2044f-58
0.225
BEN-DND-031a96cc-1
0.225
ASH-SAT-43770c7d-7
0.225
LON-WEI-120e5cf5-14
0.224
MAR-TRE-7f7bb9f0-21
0.224
RAL-MED-9a5eb9cb-2
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JAG-SYN-9c2cd0bd-4
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MAR-TRE-a3327163-71
0.223
KEI-TRE-d5e2018a-73
0.223
MAR-TRE-fd17a9b8-2
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GIA-UNK-995df016-15
0.222
BEN-DND-031a96cc-2
0.222
LON-WEI-120e5cf5-16
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KEI-TRE-d5e2018a-38
0.221
KEI-TRE-d5e2018a-49
0.221
LON-WEI-120e5cf5-7
0.221
DRA-CSI-47e38074-6
0.221
LON-WEI-120e5cf5-15
0.221
MAR-TRE-6a44bbf2-86
0.221